SCHEMBL5228010

SCHEMBL5228010

COCCNc1sc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 4/20 0.43
IDH1 O75874 4/20 0.41
MAPT P10636 5/20 0.40
HCAR3 P49019 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
ALPG P10696 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CES1 P23141 1/20 0.37
POLB P06746 2/20 0.37
PKM P14618 1/20 0.37
VCAM1 P19320 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5230153 0.79 LMNA (0.51) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL5230286 0.78 IDH1 (0.48) ALDH1A1MEN1KMT2ALMNAIDH1
SCHEMBL5228629 0.77 IDH1 (0.51) ALDH1A1MEN1KMT2ALMNAIDH1
SCHEMBL5237280 0.77 CES1 (0.49) ALDH1A1MEN1KMT2ALMNAIDH1
SCHEMBL5227161 0.72 MEN1 (0.48) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL5231329 0.72 IDH1 (0.48) ALDH1A1MEN1KMT2AIDH1MAPT
SCHEMBL5227591 0.70 CDK1 (0.52) ALDH1A1MEN1KMT2ALMNAIDH1
SCHEMBL5228023 0.69 CA2 (0.49) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL15595336 0.68 LMNA (0.68) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL9502563 0.68 LMNA (0.56) ALDH1A1MEN1KMT2ALMNAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1519932-B1 BISARYLSULFONAMIDE COMPOUNDS AND THEIR USE IN CANCER THERAPY CYCLACEL LTD (GB) 2007-10-03 EP claimed